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Molecular dynamics study on the effect of temperature on HCP→FCC phase transition of magnesium alloy

Journal of Magnesium and Alloys 2023年第10期11卷 3749-3764页

作者： Chun Xue Shuai Li Zhibing Chu Qianhua Yang Yugui Li Lifeng Ma Leifeng Tuo College of Materials Science and Engineering Taiyuan University of Science and TechnologyTaiyuan 030024China College of Mechanical Engineering Taiyuan University of Science and TechnologyTaiyuan030024China

To explore the effect of temperature on the phase transformation of HCP→FCC during compression, the uniaxial compression process of AZ31 magnesium alloy was simulated by the molecular dynamics method, and the changes of crystal structure and dislocation evolution were observed. The effects of temperature on mechanical properties, crystal structure, and dislocation evolution of magnesium alloy during compression were analyzed. It is concluded that some of the shockley partial dislocation is related to FCC stacking faults. With the help of TEM characterization, the correctness of the correlation between some of the dislocations and FCC stacking faults is verified. Through the combination of simulation and experiment, this paper provides an idea for the in-depth study of the solid-phase transformation of magnesium alloys and provides reference and guidance for the design of magnesium alloys with good plasticity and formability at room temperature.

关键词： Temperature AZ31 magnesium alloy FCC stacking fault shockley partial dislocation Phase transformation

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dislocation formation and twinning from the crack tip in Ni_3Al:molecular dynamics simulations

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Chinese Physics B 2009年第1期18卷 251-258页

作者：谢红献王崇愚于涛杜俊平 Central Iron and Steel Research Institute International Centre for Materials Physics Chinese Academy of Sciences Department of Physics Tsinghua University

The mechanism of low-temperature deformation in a fracture process of Ll2 Ni3Al is studied by molecular dynamic simulations. Owing to the unstable stacking energy, the [011] superdislocation is dissociated into partial dislocations separated by a stacking fault. The simulation results show that when the crack speed is larger than a critical speed, the shockley partial dislocations will break forth from both the crack tip and the vicinity of the crack tip; subsequently the super intrinsic stacking faults are formed in adjacent {111} planes, meanwhile the super extrinsic stacking faults and twinning also occur. Our simulation results suggest that at low temperatures the ductile fracture in Ll2 Ni3Al is accompanied by twinning, which is produced by super-intrinsic stacking faults formed in adjacent {111} planes.

关键词： molecular dynamic crack shockley partial dislocation stacking fault

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Precipitation on stacking faults in Mg–9.8wt%Sn alloy

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Journal of Materials Science & Technology 2020年第10期42卷 230-240页

作者： C.Q.Liu C.He H.W.Chen J.F.Nie International Joint Laboratory for Light Alloys(Ministry of Education) College of Materials Science and EngineeringChongqing UniversityChongqing400044China Department of Materials Science and Engineering Monash UniversityVictoria3800Australia Electron Microscopy Center Chongqing UniversityChongqing400044PR China

In this work,we have systematically investigated precipitation ofβ’-Mg3Sn phase on intrinsic stacking faults I1 and I2 in a Mg-9.8 wt%Sn alloy using aberration-corrected scanning transmission electron *** observed I1 faults are generated by the dissociation of c+a perfect dislocations and bounded by Frank partial dislocations having a shockley *** ofβ’on I1 involves a shear of 1/3α,similar to its formation directly from theα-Mg ***β’phase often nucleates at one end of an I1 fault due to the interaction between shear strain fields ofβ’and the shockley component of the Frank partial at that end,and subsequently grows towards the other end of the *** theβ’reaches to the other end,the shockley partial bounding the lengthening end of theβ’reacts with the Frank partial bounding the fault,generating an a perfect dislocation that can glide away from the precipitate and the *** observed I2 faults are generated by the dissociation of a perfect dislocations and bounded by shockley *** ofβ’on I2 does not need a shear of 1/3α,since the pre-existing I2 fault already provides an ABCA four-layer structure ofβ’.Thickening of theβ’that has already formed on the I2 involves the successive occurrence of three crystallographically equivalent shears of 1/3αon every second(0002)αplane of theα-Mg *** this thickening mechanism is similar to that of theβ’formed directly from theα-Mg matrix,an a perfect dislocation will be produced when theβ’is thickened to eight layers,and it can again glide away from the precipitate and the fault.

关键词： Heterogeneous precipitation HAADF-STEM shockley partial dislocation Frank partial dislocation dislocation reaction

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